REMARK  Name = BDB041949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.816  -1.976  -1.208  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.163  -0.979  -0.602  0.00  0.00    +0.258 C 
ATOM      3  N   LIG    1       -0.431   0.067  -0.078  0.00  0.00    -0.197 N 
ATOM      4  C   LIG    1       -1.260   1.126   0.226  0.00  0.00    +0.261 C 
ATOM      5  O   LIG    1       -0.986   2.247   0.616  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1       -2.628   0.671   0.010  0.00  0.00    +0.085 A 
ATOM      7  C   LIG    1       -3.836   1.299   0.205  0.00  0.00    +0.136 A 
ATOM      8  F   LIG    1       -3.911   2.548   0.678  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.006   0.604  -0.104  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -4.943  -0.710  -0.608  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.708  -1.335  -0.805  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -2.570  -0.616  -0.478  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        0.951   0.083   0.005  0.00  0.00    +0.109 A 
ATOM     14  C   LIG    1        1.690  -1.200   0.317  0.00  0.00    +0.271 A 
ATOM     15  O   LIG    1        1.131  -2.221   0.703  0.00  0.00    -0.266 OA
ATOM     16  N   LIG    1        3.063  -1.152   0.243  0.00  0.00    -0.317 N 
ATOM     17  H   LIG    1        3.533  -2.030   0.446  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        3.806   0.003   0.061  0.00  0.00    +0.123 A 
ATOM     19  C   LIG    1        3.146   1.163  -0.091  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        1.701   1.196  -0.119  0.00  0.00    +0.031 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.315  -0.105   0.080  0.00  0.00    +0.432 C 
ATOM     22  F   LIG    1        5.933   1.096  -0.046  0.00  0.00    -0.164 F 
ATOM     23  F   LIG    1        5.768  -0.893  -0.928  0.00  0.00    -0.164 F 
ATOM     24  F   LIG    1        5.756  -0.660   1.238  0.00  0.00    -0.164 F 
ENDBRANCH  18  21
ENDBRANCH   3  13
TORSDOF 2